Related papers: Short-range order stabilizes a cubic Fe alloy in E…
The recent observation of coherent backscattering (CBS) of light by atoms has emphasized the key role of the velocity spread and of the quantum internal structure of the atoms. Firstly, using highly resonant scatterers imposes very low…
Fe, Mg, and O are among the most abundant elements in terrestrial planets. While the behavior of the Fe-O, Mg-O, and Fe-Mg binary systems under pressure have been investigated, there are still very few studies of the Fe-Mg-O ternary system…
We propose to model the uppermost inner core as an aggregate of randomly oriented anisotropic ``patches''. A patch is defined as an assemblage of a possibly large number of crystals with identically oriented crystallographic axes. This…
High temperature atomic configurations of fcc Fe-Cr-Ni alloys with alloy composition close to austenitic steel are studied in statistical thermodynamic simulations with effective interactions obtained in ab initio calculations. The latter…
We analyze the stability of a low-order coupled sea ice and climate model and extract the essential physics governing the time scales of response as a function of greenhouse gas forcing. Under present climate conditions the stability is…
Most boson emitting sources contain a core of finite dimensions surrounded by a large halo, due to long-lived resonances like $\omega,\eta,\eta',K^{0}$ etc. When the Bose-Einstein correlation (BEC) function of the core can be determined we…
We develop in detail a model of the charge order in NbSe$_2$ deriving from a strong electron-phonon coupling dependent on the ingoing and outgoing electron momenta as well as the electronic orbitals scattered between. Including both…
Short-range ordering (SRO) in Fe-Cr has been the subject of a number of recent experimental and theoretical investigations, as ordering effects are significant for the phase stability of this technologically important alloy. Recently,…
The AlCrTiV high entropy alloy undergoes an order-disorder transition from body centered cubic (Strukturbericht A2) at high temperatures to the CsCl structure (B2) at intermediate temperatures. We model this transition using first…
This paper investigates whether observations of seismic anisotropy are compatible with a cubic structure of the inner core Fe alloy. We assume that anisotropy is the result of plastic deformation within a large scale flow induced by…
Earth's inner core (IC) serves as a reservoir for volatile elements, which significantly affects its behavior and properties. Recent studies suggest that superionicity can be observed in ice and iron hydrides under high-pressure and…
The phonon dispersions of the bcc and fcc phases of pure iron ({\alpha}-Fe, {\gamma}-Fe and {\delta}-Fe) at ambient pressure were investigated close to the respective phase transition temperatures. In the open bcc structure the transverse…
Goal of the presented research is to construct simplified model of the core-halo structures in binary systems. Examples are provided by Thorne-Zytkov objects, hot Jupiters, protoplanets with large moons, red supergiants in binaries and…
Order-disorder transformations hold an essential place in chemically complex high-entropy ferritic-steels (HEFSs) due to their critical technological application. The chemical inhomogeneity arising from mixing of multi-principal elements of…
A model of B20 helimagnet with strong (frustrating) defect bonds is considered. Single defect provides dipolar field-like distortion of the helical magnetic ordering. At finite defect bond concentrations, the spiral vector acquires…
We investigate the thermodynamics and phase stability of the AlTiVCr lightweight high-entropy alloy using a combination of ab initio electronic structure calculations, a concentration wave analysis, and atomistic Monte Carlo simulations. In…
To describe chemical ordering in solid solutions systems Warren-Cowley short-range parameters are ordinarily used. However, they are not directly suited for application to long-range ordered systems, as they do not converge to zero for…
In the present paper, we have studied atomic structure of nitrogenous austenite. High precision ab-initio calculation was utilized for the calculation of the pair potentials of interatomic interactions N-N in FCC Fe lattice. These…
Electronic-structure methods based on density-functional theory (DFT) were used to directly quantify the effect of chemical short-range order (SRO) on thermodynamic, structural, and electronic properties of archetypal face-centered-cubic…
Previously known to form only under high pressure synthetic conditions, here we report that the T'-type 214-structure cuprate based on the rare earth atom Tb is stabilized for ambient pressure synthesis through partial substitution of Pd…